PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from inspiration to implementation.
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QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments(BIOINFORMATICS 2020) https://doi.org/10.1093/bioinformatics/btaa524
- self-attention
- compound-protein-interaction
- transformercpi
- structure-free-virtual-sreening
Batched NVIDIA MotionBricks: generate the motion of hundreds of characters in one model call.
- character-animation
- crowd-simulation
- motion-generation
- motionbricks
CGRs, molecules and reactions manipulation